Basic information
- Standard SMILES
N#Cc1ccc(Sc2cccnc2Nc2nc3cccnc3s2)cc1- InChIKey
ZKKKBBQKSFQJJC-UHFFFAOYSA-N- Molecular formula
- C18H11N5S2
- Average molar mass
- 361.4 g/mol
Names & identifiers
- Preferred name
- 4-(2-(Thiazolo[5,4-b]pyridin-2-ylamino)pyridin-3-ylthio)benzonitrile
- IUPAC
- 4-[[2-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-3-pyridinyl]sulfanyl]benzonitrile
Names & synonyms
SCHEMBL1328651ZKKKBBQKSFQJJC-UHFFFAOYSA-N4-(2-(thiazolo[5,4-b]pyridin-2-ylamino)pyridin-3-ylthio)benzonitrile
Database identifiers
- PubChem CID
- 57742844
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 487
Related reactions
3 records
Compound notes
Loading…